4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one

C8H2F9NO — CID 173378849

IUPAC4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C8H2F9NO/c9-6(10,11)2-1-3(19)18-5(8(15,16)17)4(2)7(12,13)14/h1H,(H,18,19)
InChIKeyUEQAYGSXMWMNIN-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.43
Rot. Bonds

About 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one

4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 173378849) has the molecular formula C8H2F9NO and a molecular weight of 299.09 g/mol. Its IUPAC name is 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one
PubChem CID173378849
Molecular FormulaC8H2F9NO
Molecular Weight299.09 g/mol
Exact Mass299.00
IUPAC Name4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C8H2F9NO/c9-6(10,11)2-1-3(19)18-5(8(15,16)17)4(2)7(12,13)14/h1H,(H,18,19)
InChIKeyUEQAYGSXMWMNIN-UHFFFAOYSA-N
XLogP3.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one (CID 173378849) is 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)[nH]1.
What is the InChIKey of 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UEQAYGSXMWMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F9NO/c9-6(10,11)2-1-3(19)18-5(8(15,16)17)4(2)7(12,13)14/h1H,(H,18,19).
What are the key properties of 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one?
4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 299.09 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 173378849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).